Home
MCP
Workbench
Skills
More
English
English
Home
Workbench
Notifications
Me
6-[4-[(4-chlorophenyl)sulfonylamino]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]hex-5-enoic acid (HCID 178452402)|Huagongshe
Home
/
Compound
6-[4-[(4-chlorophenyl)sulfonylamino]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]hex-5-enoic acid
HCID
178452402
Save
Notes
Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
Substructure search
Find similar structures
Basic information
Standard SMILES
CC(C)(C)OC(=O)N1CC(NS(=O)(=O)c2ccc(Cl)cc2)CC1C=CCCCC(=O)O
InChIKey
ZBDBHYTUDPQXIG-UHFFFAOYSA-N
Molecular formula
C21H29ClN2O6S
Average molar mass
473 g/mol
Monoisotopic mass
472.1434855
Names & identifiers
IUPAC
6-[4-[(4-chlorophenyl)sulfonylamino]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]hex-5-enoic acid
Database identifiers
PubChem CID
76486625
Properties
Computed structural properties
XLogP
3.3
Topological polar surface area
121 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
10
Heavy atoms
31
Formal charge
0
Complexity
751
Show all 8
Show all 8 / 8
Related reactions
1 records
New reaction record
All
As reactant
As product
As reagent
As catalyst
As solvent
HRID
123327
As product
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Compound notes
Loading…